Basic information
- Standard SMILES
COc1ccc(-n2nc(OC)c3c2C(=O)NCC3c2ccc(I)cc2)cc1- InChIKey
ONNFCMCLYROUEV-UHFFFAOYSA-N- Molecular formula
- C20H18IN3O3
- Average molar mass
- 475.3 g/mol
Names & identifiers
- Preferred name
- (4-Iodophenyl)-3-methoxy-1-(4-methoxyphenyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
- IUPAC
- 4-(4-iodophenyl)-3-methoxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
Names & synonyms
SCHEMBL6218053ONNFCMCLYROUEV-UHFFFAOYSA-N(4-iodophenyl)-3-methoxy-1-(4-methoxyphenyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
Database identifiers
- PubChem CID
- 22240487
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Related reactions
1 records
Compound notes
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